WebMO - Computational chemistry on the WWW
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Author Message
Moshe S
Unregistered guest
Posted on Wednesday, June 06, 2012 - 7:02 pm:   

Hello,

I use webmo 9.0.010 When drawing a molecule containing either a cation or anion, WebMO expresses an error when using several options in the clean-up menu. For example: If I press comprehensive mechanics, or comprehensive, or mechanics->energy, or mechanics-> optimize, then nothing changes and this pops up: "Mechanics returned an error: see console for details."

If all molecules in the atoms are neutrally charged, then no error message occurs and clean-up works properly.

How can I fix the error so that I can use clean-up on charged molecules?
JR Schmidt
Moderator
Username: Schmidt

Post Number: 256
Registered: 11-2006
Posted on Wednesday, June 06, 2012 - 7:04 pm:   

For charged species, do NOT use Mechanics. Use the default "Comprehensive Cleanup".

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